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Details

Stereochemistry RACEMIC
Molecular Formula C13H11NO3
Molecular Weight 229.2313
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1A,2,3,9C-TETRAHYDRO-OXIRENO(3,4)BENZO(1,2-H)QUINOLINE-2,3-DIOL, (1AR,2R,3S,9CS)-(±)-

SMILES

O[C@@H]1[C@@H]2O[C@@H]2C3=C(C=CC4=CC=CN=C34)[C@H]1O

InChI

InChIKey=UGQWYQLYNQTXMZ-XQHKEYJVSA-N
InChI=1S/C13H11NO3/c15-10-7-4-3-6-2-1-5-14-9(6)8(7)12-13(17-12)11(10)16/h1-5,10-13,15-16H/t10-,11+,12-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H11NO3
Molecular Weight 229.2313
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:23:47 GMT 2023
Edited
by admin
on Sat Dec 16 08:23:47 GMT 2023
Record UNII
L5DEC19M1Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1A,2,3,9C-TETRAHYDRO-OXIRENO(3,4)BENZO(1,2-H)QUINOLINE-2,3-DIOL, (1AR,2R,3S,9CS)-(±)-
Common Name English
OXIRENO(3,4)BENZO(1,2-H)QUINOLINE-2,3-DIOL, 1A,2,3,9C-TETRAHYDRO-, (1AR,2R,3S,9CS)-REL-
Systematic Name English
OXIRENO(3,4)BENZO(1,2-H)QUINOLINE-2,3-DIOL, 1A,2,3,9C-TETRAHYDRO-, (1A-ALPHA,2-BETA,3-ALPHA,9C-ALPHA)-
Common Name English
OXIRENO(3,4)BENZO(1,2-H)QUINOLINE-2,3-DIOL, 1A,2,3,9C-TETRAHYDRO-, (1A.ALPHA.,2.BETA.,3.ALPHA.,9C.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
L5DEC19M1Q
Created by admin on Sat Dec 16 08:23:47 GMT 2023 , Edited by admin on Sat Dec 16 08:23:47 GMT 2023
PRIMARY
CAS
113163-22-7
Created by admin on Sat Dec 16 08:23:47 GMT 2023 , Edited by admin on Sat Dec 16 08:23:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID40921003
Created by admin on Sat Dec 16 08:23:47 GMT 2023 , Edited by admin on Sat Dec 16 08:23:47 GMT 2023
PRIMARY
PUBCHEM
102397922
Created by admin on Sat Dec 16 08:23:47 GMT 2023 , Edited by admin on Sat Dec 16 08:23:47 GMT 2023
PRIMARY